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Basic information
- Standard SMILES
O=C(CN1CCC(Oc2ccc(OC(F)(F)F)c(F)c2)CC1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1- InChIKey
KTOJZXOBZLQXKT-LBPRGKRZSA-N- Molecular formula
- C20H21F4N5O6
- Average molar mass
- 503.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-(3-fluoro-4-(trifluoromethoxy)phenoxy)piperidin-1-yl)-N-((S)-6,7-dihydro-2-nitro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)acetamide
- IUPAC
- 2-[4-[3-fluoro-4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide
Names & synonyms
2-(4-(3-fluoro-4-(trifluoromethoxy)phenoxy)piperidin-1-yl)-N-((S)-6,7-dihydro-2-nitro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)acetamideSCHEMBL14795279
Database identifiers
- PubChem CID
- 71577553
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 750
Related reactions
1 records
Compound notes
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